Jain S - Search Results

1

Discovery of TMPRSS2 Inhibitors from Virtual Screening as a Potential Treatment of COVID-19.

Hu X, Shrimp JH, Guo H, Xu M, Chen CZ, Zhu W, Zakharov AV, Jain S, Shinn P, Simeonov A, Hall MD, Shen M. Hu X, et al. Among authors: jain s. ACS Pharmacol Transl Sci. 2021 Apr 2;4(3):1124-1135. doi: 10.1021/acsptsci.0c00221. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 34136758 Free PMC article.

2

Discovery of TMPRSS2 inhibitors from virtual screening.

Hu X, Shrimp JH, Guo H, Xu M, Chen CZ, Zhu W, Zakharov A, Jain S, Shinn P, Simeonov A, Hall MD, Shen M. Hu X, et al. Among authors: jain s. bioRxiv [Preprint]. 2021 Mar 17:2020.12.28.424413. doi: 10.1101/2020.12.28.424413. bioRxiv. 2021. Update in: ACS Pharmacol Transl Sci. 2021 Apr 02;4(3):1124-1135. doi: 10.1021/acsptsci.0c00221. PMID: 33398276 Free PMC article. Updated. Preprint.

3

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.

Jain S, Siramshetty VB, Alves VM, Muratov EN, Kleinstreuer N, Tropsha A, Nicklaus MC, Simeonov A, Zakharov AV. Jain S, et al. J Chem Inf Model. 2021 Feb 22;61(2):653-663. doi: 10.1021/acs.jcim.0c01164. Epub 2021 Feb 3. J Chem Inf Model. 2021. PMID: 33533614 Free PMC article.

4

Development of Robust Quantitative Structure-Activity Relationship Models for CYP2C9, CYP2D6, and CYP3A4 Catalysis and Inhibition.

Gonzalez E, Jain S, Shah P, Torimoto-Katori N, Zakharov A, Nguyễn ÐT, Sakamuru S, Huang R, Xia M, Obach RS, Hop CECA, Simeonov A, Xu X. Gonzalez E, et al. Among authors: jain s. Drug Metab Dispos. 2021 Sep;49(9):822-832. doi: 10.1124/dmd.120.000320. Epub 2021 Jun 28. Drug Metab Dispos. 2021. PMID: 34183376 Free PMC article.

5

Hybrid In Silico Approach Reveals Novel Inhibitors of Multiple SARS-CoV-2 Variants.

Jain S, Talley DC, Baljinnyam B, Choe J, Hanson Q, Zhu W, Xu M, Chen CZ, Zheng W, Hu X, Shen M, Rai G, Hall MD, Simeonov A, Zakharov AV. Jain S, et al. ACS Pharmacol Transl Sci. 2021 Sep 17;4(5):1675-1688. doi: 10.1021/acsptsci.1c00176. eCollection 2021 Oct 8. ACS Pharmacol Transl Sci. 2021. PMID: 34608449 Free PMC article.

6

Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.

Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV. Hochuli JE, et al. Among authors: jain s. bioRxiv [Preprint]. 2022 Mar 16:2022.03.15.484484. doi: 10.1101/2022.03.15.484484. bioRxiv. 2022. Update in: ACS Pharmacol Transl Sci. 2022 Jun 22;5(7):468-478. doi: 10.1021/acsptsci.2c00049. PMID: 35313579 Free PMC article. Updated. Preprint.

7

Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.

Hochuli JE, Jain S, Melo-Filho C, Sessions ZL, Bobrowski T, Choe J, Zheng J, Eastman R, Talley DC, Rai G, Simeonov A, Tropsha A, Muratov EN, Baljinnyam B, Zakharov AV. Hochuli JE, et al. Among authors: jain s. ACS Pharmacol Transl Sci. 2022 Jun 22;5(7):468-478. doi: 10.1021/acsptsci.2c00049. eCollection 2022 Jul 8. ACS Pharmacol Transl Sci. 2022. PMID: 35821746 Free PMC article.

8

Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner.

Dong G, Deng Y, Yasgar A, Yadav R, Talley D, Zakharov AV, Jain S, Rai G, Noinaj N, Simeonov A, Huang R. Dong G, et al. Among authors: jain s. J Med Chem. 2022 Sep 22;65(18):12334-12345. doi: 10.1021/acs.jmedchem.2c01050. Epub 2022 Sep 8. J Med Chem. 2022. PMID: 36074125 Free PMC article.

9

Artificial Immune Cell, AI-cell, a New Tool to Predict Interferon Production by Peripheral Blood Monocytes in Response to Nucleic Acid Nanoparticles.

Chandler M, Jain S, Halman J, Hong E, Dobrovolskaia MA, Zakharov AV, Afonin KA. Chandler M, et al. Among authors: jain s. Small. 2022 Nov;18(46):e2204941. doi: 10.1002/smll.202204941. Epub 2022 Oct 10. Small. 2022. PMID: 36216772 Free PMC article.

10

Application of temperature-responsive HIS-tag fluorophores to differential scanning fluorimetry screening of small molecule libraries.

Ronzetti MH, Baljinnyam B, Itkin Z, Jain S, Rai G, Zakharov AV, Pal U, Simeonov A. Ronzetti MH, et al. Among authors: jain s. Front Pharmacol. 2022 Nov 24;13:1040039. doi: 10.3389/fphar.2022.1040039. eCollection 2022. Front Pharmacol. 2022. PMID: 36506591 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

11,825 results

Search Page

Filters